CHEBI:99809 - 3,5-dichloro-N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,5-dichloro-N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
ChEBI ID CHEBI:99809
Stars This entity has been manually annotated by a third party.
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Formula C24H30Cl2FN3O4
Net Charge 0
Average Mass 514.418
Monoisotopic Mass 513.15974
InChI InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16-,22-/m0/s1
InChIKey IBBRHRMMLVXSHB-WCJKSRRJSA-N
SMILES C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC
ChEBI Ontology
Outgoing 3,5-dichloro-N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide (CHEBI:99809) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-11188 LINCS
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